Remove PARAM in source_cell (including tests); revert the dependency between unitcell in source_cell and ORB files in source_basis; update some agent governance#7644
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July 15, 2026 22:27
This commit implements dependency inversion to decouple source_cell from source_basis ORB files. The key changes are: 1. Created abstract base class NonlocalInfoBase in source_cell/nonlocal_info_base.h - Provides pure virtual interface for non-local pseudopotential data access - Eliminates source_cell's direct dependency on ORB headers 2. Implemented adapter class LCAONonlocalInfo in source_lcao/LCAO_nonlocal_info.h - Inherits from NonlocalInfoBase - Wraps the existing InfoNonlocal class - Provides type-safe access to underlying LCAO-specific non-local data 3. Modified UnitCell to use NonlocalInfoBase* instead of InfoNonlocal - Changed from value member to pointer - Added proper cleanup in destructor 4. Moved setup_nonlocal.h/cpp from source_cell to source_lcao - Consolidates LCAO-specific code in the appropriate module - Updated include paths in dependent files 5. Updated all call sites to use the new abstract interface - Replaced direct member access with getter methods - Ensured const-correctness throughout This design follows the Dependency Inversion Principle: - High-level module (source_cell) now depends on abstraction (NonlocalInfoBase) - Low-level module (source_lcao) implements the abstraction - source_cell no longer depends on source_basis ORB headers
mohanchen
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Critsium-xy
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Jul 21, 2026
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July 21, 2026 11:38
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LGTM now. But the title should be modified before merge because this PR includes some codes for other functions.
mohanchen
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Revert the dependency between unitcell in source_cell and ORB files in source_basis